G786-1704 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

G786-1704 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
G786-1704 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1704
1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G786-1704

Molecular Formula

C17H23N5O3S (C17 H23 N5 O3 S)

Compound Name

1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-propyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CCCc1nc(N(C)C(N(C)C2=O)=O)c2c(SCC(N2CCCC2)=O)n1

InChI

InChI=1S/C17H23N5O3S/c1-4-7-11-18-14-13(16(24)21(3)17(25)20(14)2)15(19-11)26-10-12(23)22-8-5-6-9-22/h4-10H2,1-3H3

InChI Key

HZTBPQLEDVJFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.26

Polar Surface Area

68.804

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

G786-1704 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G786-1704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1704?
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What is the minimum amount of G786-1704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1704
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G786-1704 available by request